BDBM2113 13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one::2,8-Substituted Dipyridodiazepinone 56::2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-[2-(2-aminopyrid-4-yl)ethyl]-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one
SMILES: CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(N)c3)cnc12
InChI Key: InChIKey=CCJJPOCNADHZMF-UHFFFAOYSA-N
Data: 7 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1) | BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (Y188L) (Human immunodeficiency virus type 1) | BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (P236L) (Human immunodeficiency virus type 1) | BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (V106A) (Human immunodeficiency virus type 1) | BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (G190A) (Human immunodeficiency virus type 1) | BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1) | BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2 | |||||||||||
More data for this Ligand-Target Pair |